5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide

C12H15N3O4S — CID 6625780

IUPAC5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCC(C)NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C12H15N3O4S/c1-8(2)13-12(16)10-7-9(11-5-4-6-19-11)14-20(17,18)15(10)3/h4-8H,1-3H3,(H,13,16)
InChIKeyHOYAFVCKJRSHET-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.67
Rot. Bonds3

About 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide

5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide (PubChem CID 6625780) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
PubChem CID6625780
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCC(C)NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C
InChIInChI=1S/C12H15N3O4S/c1-8(2)13-12(16)10-7-9(11-5-4-6-19-11)14-20(17,18)15(10)3/h4-8H,1-3H3,(H,13,16)
InChIKeyHOYAFVCKJRSHET-UHFFFAOYSA-N
XLogP0.67
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide (CID 6625780) is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide is CC(C)NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C.
What is the InChIKey of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is HOYAFVCKJRSHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8(2)13-12(16)10-7-9(11-5-4-6-19-11)14-20(17,18)15(10)3/h4-8H,1-3H3,(H,13,16).
What are the key properties of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide?
5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 6625780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).